Jian Zou wrote:
Hi,
If I only change some functional form in bondfree.c (the number of
parameters are kept the same), can I just do "make mdrun" and "make
install-mdrun" to recompile from the source?
I cannot find the dependency between the source files and the Gromacs
utilities (grompp and mdrun).
It's there in the Makefiles, but you don't need to know about it. Just
use make (or just make mdrun) from the top-level source directory.
I compare the tpr file generated before and after the change and they
are the same. Therefore it seems to me that grompp does not read the
formulation of bonded interactions, am I right?
grompp isn't changing, so its output is the same. All it does is
interpret the contents of your .top file and tell mdrun which function
to use.
Mark
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
